1-[4-(4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperazin-1-yl]ethanone

C13H18N5O+ — CID 67363171

IUPAC1-[4-(4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C2=C3C=NC=C[N+]3(C)C=N2)CC1
InChIInChI=1S/C13H18N5O/c1-11(19)16-4-6-17(7-5-16)13-12-9-14-3-8-18(12,2)10-15-13/h3,8-10H,4-7H2,1-2H3/q+1
InChIKeyPYTXPHNAPBVLLD-UHFFFAOYSA-N
MW260.32 g/mol
LogP0.36
Rot. Bonds1

About 1-[4-(4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperazin-1-yl]ethanone

1-[4-(4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperazin-1-yl]ethanone (PubChem CID 67363171) has the molecular formula C13H18N5O+ and a molecular weight of 260.32 g/mol. Its IUPAC name is 1-[4-(4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperazin-1-yl]ethanone
PubChem CID67363171
Molecular FormulaC13H18N5O+
Molecular Weight260.32 g/mol
Exact Mass260.15
IUPAC Name1-[4-(4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C2=C3C=NC=C[N+]3(C)C=N2)CC1
InChIInChI=1S/C13H18N5O/c1-11(19)16-4-6-17(7-5-16)13-12-9-14-3-8-18(12,2)10-15-13/h3,8-10H,4-7H2,1-2H3/q+1
InChIKeyPYTXPHNAPBVLLD-UHFFFAOYSA-N
XLogP0.36
TPSA48.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

4-methyl-1-piperazin-1-ylimidazo[1,5-a]pyrazin-4-ium
CID 67364893
1-[4-(3-bromo-4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperazin-1-yl]ethanone;methanol
CID 71074953
3-(4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)pyrrolidine-1-carboxylate
CID 67364195
1-[4-[3-(4-amino-3-iodoimidazo[1,5-a]pyrazin-4-ium-1-yl)cyclobutyl]piperazin-1-yl]ethanone
CID 66676532
N-[4-[1-(4-acetylpiperazin-1-yl)-4-methylimidazo[1,5-a]pyrazin-4-ium-3-yl]-2-methoxyphenyl]-4-methoxy-1-methylindole-2-carboxamide
CID 87370915
1-[4-(4-chloro-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]ethanone
CID 83155375
4-(tetrazolo[1,5-a]pyrazin-4-ium-4-yl)piperazine-1-carboxylate
CID 67393988
1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
CID 133328044
1-[4-[2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109302025
1-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone
CID 47445163
1-[4-[2-(methylamino)phenyl]piperazin-1-yl]ethanone
CID 59454370
1-[4-(6-aminopyridazin-3-yl)piperazin-1-yl]ethanone
CID 83536152

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperazin-1-yl]ethanone (CID 67363171) is 1-[4-(4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C2=C3C=NC=C[N+]3(C)C=N2)CC1.
What is the InChIKey of 1-[4-(4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperazin-1-yl]ethanone?
The InChIKey is PYTXPHNAPBVLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N5O/c1-11(19)16-4-6-17(7-5-16)13-12-9-14-3-8-18(12,2)10-15-13/h3,8-10H,4-7H2,1-2H3/q+1.
What are the key properties of 1-[4-(4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperazin-1-yl]ethanone?
1-[4-(4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperazin-1-yl]ethanone has a molecular weight of 260.32 g/mol, XLogP of 0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 67363171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).